most citedGaussian Process Regression Adaptive Density-Guided Approach: Towards Calculations of Potential Energy Surfaces for Larger Molecules

9 citations · 9 across the 1 of their papers we have counts for

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physics.chem-ph2023★ 9 cited

Gaussian Process Regression Adaptive Density-Guided Approach: Towards Calculations of Potential Energy Surfaces for Larger Molecules

Denis G. Artiukhin, Ian H. Godtliebsen, Gunnar Schmitz +1

We present a new program implementation of the gaussian process regression adaptive density-guided approach [J. Chem. Phys. 153 (2020) 064105] in the MidasCpp program. A number of…